Information card for entry 7013841

Structure parameters

• Common name: Potassium diperoxo citrato oxomolybdenum(VI) tetrahydrate
• Formula: C6 H12 K4 Mo O16
• Calculated formula: C6 H12 K4 Mo O16
• SMILES: C1(O[Mo]23(OC1(CC(=O)[O-])CC(=O)[O-])(OO2)(=O)OO3)=O.[K+].[K+].[K+].[K+].O.O.O.O
• Title of publication: Peroxomolybdate(VI)-citrate and -malate complex interconversions by pH-dependence. Synthetic, structural and spectroscopic studies.
• Authors of publication: Zhou, Zhao-Hui; Hou, Shu-Ya; Wan, Hui-Lin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1393 - 1399
• a: 22.361 ± 0.002 Å
• b: 10.3537 ± 0.0008 Å
• c: 7.8268 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1812.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No